CID 54687912

2(5h)-furanone, 5-butyl-3-(cyclopropylphenylmethyl)-4-hydroxy-

Structural Information

Molecular Formula
C18H22O3
SMILES
CCCCC1C(=C(C(=O)O1)C(C2CC2)C3=CC=CC=C3)O
InChI
InChI=1S/C18H22O3/c1-2-3-9-14-17(19)16(18(20)21-14)15(13-10-11-13)12-7-5-4-6-8-12/h4-8,13-15,19H,2-3,9-11H2,1H3
InChIKey
JZGDRJLJFAPHIT-UHFFFAOYSA-N
Compound name
2-butyl-4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.1569 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.164176 161.8
[M+Na]+ 309.146118 169.8
[M-H]- 285.149624 171.5
[M+NH4]+ 304.190723 172.8
[M+K]+ 325.120058 166.2
[M+H-H2O]+ 269.154160 155.2
[M+HCOO]- 331.155101 181.9
[M+CH3COO]- 345.170751 202.4
[M+Na-2H]- 307.131566 162.6
[M]+ 286.15635142 165.9
[M]- 286.15744858 165.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.